Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd5d08763aa5ef76b7dea7bd84583eea",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 68.19,
"b": 90.18,
"c": 98.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.090,1.850],
"number_observations": 340703,
"number_observations_unique": 26332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 25676,
"number_observations_unique": 1925,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.420
},
{
"type": "R(meas)",
"value": 1.476
},
{
"type": "R(pim)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [45.090,8.270],
"number_observations": 3010,
"number_observations_unique": 330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 45.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}